5-Methyltryptamine Hydrochloride - ≥98% , CAS No.1010-95-3

CAS: 1010-95-3 Cat. No.: M300165 분자식: C₁₁H₁₅ClN₂ 분자량: 210.7 EC 번호: 213-777-8

GRADE & PURITY ≥98%

Synonyms

2-Thienyl hydrazide | Glaxenna | 2-(5-Methyl-1H-indol-3-yl)-ethylamine hydrochloride | 1H-Indole-3-ethanamine, 5-methyl-, hydrochloride (1:1) | 5-Methyltryptamine hydrochloride, 98% | RBHDFGBPJGEYCK-UHFFFAOYSA-N | 5-Methyltryptamine hydrochloride | 4-Meth

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

2-Thienyl hydrazide | Glaxenna | 2-(5-Methyl-1H-indol-3-yl)-ethylamine hydrochloride | 1H-Indole-3-ethanamine, 5-methyl-, hydrochloride (1:1) | 5-Methyltryptamine hydrochloride, 98% | RBHDFGBPJGEYCK-UHFFFAOYSA-N | 5-Methyltryptamine hydrochloride | 4-Meth

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

488195870

정식 스마일

CC1=CC2=C(C=C1)NC=C2CCN.Cl

IUPAC Name

2-(5-methyl-1H-indol-3-yl)ethanamine;hydrochloride

InChIKey

RBHDFGBPJGEYCK-UHFFFAOYSA-N

INCHI

1S/C11H14N2.ClH/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H

이성체 SMILES

CC1=CC2=C(C=C1)NC=C2CCN.Cl

분자량

210.7

Reaxy-Rn

3707780

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3707780&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: 3-alkylindoles 2-arylethylamines Aralkylamines Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - Indole - 2-arylethylamine - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: H2O: soluble 50 mg/mL, clear, yellow
• 녹는점(°C): 289-292 °C
• 분자량: 210.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 210.092 Da
• Monoisotopic Mass: 210.092 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 169.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3